Geometry & MOs

Info

ID:	267536
PubChem CID:	103582654
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	331.04509
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	1.87
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C1CCOC1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations